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

Systemtic Name: methyl 4-[4-[2-azanyl-6-(methylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]benzoate Openeye Name: methyl 4-[4-[2-amino-6-(methylamino)-4-oxo-1H-pyrimidin-5-yl]butyl]benzoate CAS Name: 4-[4-[2-amino-6-(methylamino)-4-oxo-1H-pyrimidin-5-yl]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-amino-6-(methylamino)-4-oxo-1H-pyrimidin-5-yl]butyl]benzoate Traditional Name: 4-[4-[2-amino-4-keto-6-(methylamino)-1H-pyrimidin-5-yl]butyl]benzoic acid methyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CNC1=C(C(=O)N=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O3/c1-19-14-13(15(22)21-17(18)20-14)6-4-3-5-11-7-9-12(10-8-11)16(23)24-2/h7-10H,3-6H2,1-2H3,(H4,18,19,20,21,22)