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

Systemtic Name: 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-(2,6-dioxo-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)-N-isopropyl-acetamide CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-propan-2-ylacetamide IUPAC Name: 2-(7-butan-2-yl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-propan-2-ylacetamide Traditional Name: 2-(2,6-diketo-1-phenethyl-8-piperazino-7-sec-butyl-purin-3-yl)-N-isopropyl-acetamide Formula: C26H37N7O3 MolecularWeight: 495.61708

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N7O3/c1-5-19(4)33-22-23(29-25(33)30-15-12-27-13-16-30)32(17-21(34)28-18(2)3)26(36)31(24(22)35)14-11-20-9-7-6-8-10-20/h6-10,18-19,27H,5,11-17H2,1-4H3,(H,28,34)