3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(E)-pyridin-4-ylmethylideneamino]propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(E)-pyridin-4-ylmethylideneamino]propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(E)-4-pyridylmethyleneamino]propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(E)-4-pyridylmethyleneamino]propionamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NN=CC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N/N=C/C3=CC=NC=C3

InChI

InChI=1S/C16H17N7O3/c1-21-14-13(15(25)22(2)16(21)26)23(10-18-14)8-5-12(24)20-19-9-11-3-6-17-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,24)/b19-9+