Название: 4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
IUPAC: 4-[(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoic acid
SMILES:
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2CCanonical SMILES:
CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCCC3)NC4=C(C=C(C=C4)C(=O)O)OCМолекулярная формула: C22H25F2N5O4
Молекулярная масса: 461.50
InChIKey: ZJJQPFRCTQEAIS-UHFFFAOYSA-N
InChI:
PubChem CID: 25253680 →InChI=1S/C22H25F2N5O4/c1-28-16-11-25-21(26-15-9-8-13(19(30)31)10-17(15)33-2)27-18(16)29(12-22(23,24)20(28)32)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,30,31)(H,25,26,27)Синонимы
4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acidSCHEMBL15593714-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
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