4-[5,7-bis(oxidanylidene)pyrrolo[3,4-d]pyrimidin-6-yl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-[5,7-bis(oxidanylidene)pyrrolo[3,4-d]pyrimidin-6-yl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-(5,7-dioxopyrrolo[3,4-d]pyrimidin-6-yl)benzamide CAS Name: 4-(5,7-dioxo-6-pyrrolo[3,4-d]pyrimidinyl)-N-prop-2-enylbenzamide IUPAC Name: 4-(5,7-dioxopyrrolo[3,4-d]pyrimidin-6-yl)-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-(5,7-diketopyrrolo[3,4-d]pyrimidin-6-yl)benzamide Formula: C16H12N4O3 MolecularWeight: 308.29148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CN=CN=C3C2=O

Isomeric SMILES

C=CCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CN=CN=C3C2=O

InChI

InChI=1S/C16H12N4O3/c1-2-7-18-14(21)10-3-5-11(6-4-10)20-15(22)12-8-17-9-19-13(12)16(20)23/h2-6,8-9H,1,7H2,(H,18,21)