methyl 4-[4-(6-azanyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)butyl]benzoate

Systemtic Name: methyl 4-[4-(6-azanyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)butyl]benzoate Openeye Name: methyl 4-[4-(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoate CAS Name: 4-[4-(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoate Traditional Name: 4-[4-(6-amino-4-keto-2-methyl-1H-pyrimidin-5-yl)butyl]benzoic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-11-19-15(18)14(16(21)20-11)6-4-3-5-12-7-9-13(10-8-12)17(22)23-2/h7-10H,3-6H2,1-2H3,(H3,18,19,20,21)