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

Systemtic Name: 2-azanyl-6-bromanyl-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-amino-6-bromo-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-amino-6-bromo-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-amino-6-bromo-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-amino-6-bromo-4-methyl-8-[(6R)-4-methyl-1,4-oxazepan-4-ium-6-yl]pyrido[2,3-d]pyrimidin-7-one Formula: C14H19BrN5O2+ MolecularWeight: 369.23696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN5O2/c1-8-10-5-11(15)13(21)20(12(10)18-14(16)17-8)9-6-19(2)3-4-22-7-9/h5,9H,3-4,6-7H2,1-2H3,(H2,16,17,18)/p+1/t9-/m1/s1