N-(cyclohexen-1-yl)-N-cyclopropyl-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-cyclopropyl-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C4CC4)C5=CCCCC5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C4CC4)C5=CCCCC5

InChI

InChI=1S/C25H29N5O3/c1-2-27-17-26-23-22(27)24(32)29(25(33)28(23)15-18-9-5-3-6-10-18)16-21(31)30(20-13-14-20)19-11-7-4-8-12-19/h3,5-6,9-11,17,20H,2,4,7-8,12-16H2,1H3