C1=CC(=CC=C1CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)OCCN
Name: 3,5-diamino-N-[N'-[4-[4-(2-aminoethoxy)phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
SMILES: C1=CC(=CC=C1CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)OCCN

Molecular Processing

Molecular formula
C18H25ClN8O2
Molecular weight
420.91
Exact mass
420.1789
XLogP
0.7
TPSA
180.55
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
113.75

Supplementary Information

InChIKey: UZUNLUSCZMKNIA-UHFFFAOYSA-N
Synonyme
N-[4-[4-(2-Aminoethoxy)phenyl]butyl}-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)-guanidineN-{4-[4-(2-Aminoethoxy)phenyl]butyl}-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)-guanidineSCHEMBL2328611SCHEMBL2328617SCHEMBL5671579UZUNLUSCZMKNIA-UHFFFAOYSA-NN-{4-[4-(2-aminoethoxy)phenyl]butyl}-N'-(3,5-diamino-6-chloro-pyrazine-2-carbonyl)guanidineN-{4-[4-(2-aminoethoxy)phenyl]butyl}-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidineN-{4-[4-(2-aminoethoxy)phenyl]butyl}N'-(3,5-diamino-6-chloro-pyrazine-2-carbonyl)guanidine
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