2-azanyl-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-azanyl-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-amino-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-amino-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-6-(1H-pyrazol-4-yl)-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-amino-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-amino-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one Formula: C17H22N7O2+ MolecularWeight: 356.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3C[NH+](CCOC3)C)C4=CNN=C4

Isomeric SMILES

CC1=C2C=C(C(=O)N(C2=NC(=N1)N)[C@@H]3C[NH+](CCOC3)C)C4=CNN=C4

InChI

InChI=1S/C17H21N7O2/c1-10-13-5-14(11-6-19-20-7-11)16(25)24(15(13)22-17(18)21-10)12-8-23(2)3-4-26-9-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,19,20)(H2,18,21,22)/p+1/t12-/m1/s1