[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)CC2=CC=CC=C2)N

Isomeric SMILES

CCCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)C)CC2=CC=CC=C2)N

InChI

InChI=1S/C18H21N3O5/c1-3-7-14(23)26-11-13(22)15-16(19)21(18(25)20(2)17(15)24)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11,19H2,1-2H3