2-[2,4-bis(oxidanylidene)-5-prop-2-enyl-pyrimidin-1-yl]ethanoic acid; (phenylmethyl) carbamate

Systemtic Name: 2-[2,4-bis(oxidanylidene)-5-prop-2-enyl-pyrimidin-1-yl]ethanoic acid; (phenylmethyl) carbamate Openeye Name: 2-(5-allyl-2,4-dioxo-pyrimidin-1-yl)acetic acid; benzyl carbamate CAS Name: carbamic acid (phenylmethyl) ester; 2-(2,4-dioxo-5-prop-2-enyl-1-pyrimidinyl)acetic acid IUPAC Name: benzyl carbamate; 2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid Traditional Name: 2-(5-allyl-2,4-diketo-pyrimidin-1-yl)acetic acid; carbamic acid benzyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CN(C(=O)NC1=O)CC(=O)O.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

C=CCC1=CN(C(=O)NC1=O)CC(=O)O.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C9H10N2O4.C8H9NO2/c1-2-3-6-4-11(5-7(12)13)9(15)10-8(6)14;9-8(10)11-6-7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,12,13)(H,10,14,15);1-5H,6H2,(H2,9,10)