3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C20H21N7O3 MolecularWeight: 407.42584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N7O3/c1-24-18-17(19(29)25(2)20(24)30)26(13-22-18)9-8-16(28)21-10-14-11-23-27(12-14)15-6-4-3-5-7-15/h3-7,11-13H,8-10H2,1-2H3,(H,21,28)