N-[5-[1-cyclopropyl-2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]pyridin-2-yl]-N-phenethyl-benzamide

Systemtic Name: N-[5-[1-cyclopropyl-2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]pyridin-2-yl]-N-phenethyl-benzamide Openeye Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridyl]-N-phenethyl-benzamide CAS Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-phenethylbenzamide IUPAC Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-phenethylbenzamide Traditional Name: N-[5-(1-cyclopropyl-2,6-diketo-3-propyl-7H-purin-8-yl)-2-pyridyl]-N-phenethyl-benzamide Formula: C31H30N6O3 MolecularWeight: 534.6083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N(CCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N(CCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H30N6O3/c1-2-18-36-28-26(30(39)37(31(36)40)24-14-15-24)33-27(34-28)23-13-16-25(32-20-23)35(19-17-21-9-5-3-6-10-21)29(38)22-11-7-4-8-12-22/h3-13,16,20,24H,2,14-15,17-19H2,1H3,(H,33,34)