2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-cyclopropyl-ethanamide Openeye Name: N-cyclopropyl-2-(2,6-dioxo-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)acetamide CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-cyclopropylacetamide IUPAC Name: 2-(7-butan-2-yl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-cyclopropylacetamide Traditional Name: N-cyclopropyl-2-(2,6-diketo-1-phenethyl-8-piperazino-7-sec-butyl-purin-3-yl)acetamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC5CC5

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC5CC5

InChI

InChI=1S/C26H35N7O3/c1-3-18(2)33-22-23(29-25(33)30-15-12-27-13-16-30)32(17-21(34)28-20-9-10-20)26(36)31(24(22)35)14-11-19-7-5-4-6-8-19/h4-8,18,20,27H,3,9-17H2,1-2H3,(H,28,34)