CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)Cl)C
CAS: 877676-50-1
Name: (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILES: CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)Cl)C

Molecular Processing

Molecular formula
C12H17ClN4O
Molecular weight
268.75
Exact mass
268.1091
XLogP
2.1
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
72.15

Supplementary Information

InChIKey: RKXHCGYXHHPYHQ-MRVPVSSYSA-N
Synonyme
877676-50-1(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido(4,5-b)pyrazine(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazineRefChem:407213807-904-1(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one(7R)-2-CHLORO-7-ETHYL-7,8-DIHYDRO-5-METHYL-8-(1-METHYLETHYL)-6(5H)-PTERIDINONEMFCD16621126(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one(7R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7H-pteridin-6-one(7R)-2-chloro-7-ethyl-5-methyl-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-6-oneSCHEMBL736973SCHEMBL30738763RKXHCGYXHHPYHQ-MRVPVSSYSA-NTQ0268(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydro-5H-pteridin-6-oneAKOS022172475DS-5905SY290750DB-299928CS-0053118P18413F335935
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