(phenylmethyl) 2,4-bis(oxidanylidene)-1-propan-2-yl-3-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 2,4-bis(oxidanylidene)-1-propan-2-yl-3-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-allyl-1-isopropyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1-propan-2-yl-3-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-dioxo-1-propan-2-yl-3-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate Traditional Name: 3-allyl-1-isopropyl-2,4-diketo-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)CC=C)NC(=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)CC=C)NC(=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-4-10-22-18(24)17-16(23(13(2)3)20(22)26)11-15(21-17)19(25)27-12-14-8-6-5-7-9-14/h4-9,11,13,21H,1,10,12H2,2-3H3