(6E)-6-[2-(cyclopropylamino)-6-methyl-9-(2-piperidin-4-ylethyl)-7H-purin-8-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[2-(cyclopropylamino)-6-methyl-9-(2-piperidin-4-ylethyl)-7H-purin-8-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-(cyclopropylamino)-6-methyl-9-[2-(4-piperidyl)ethyl]-7H-purin-8-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-(cyclopropylamino)-6-methyl-9-[2-(4-piperidinyl)ethyl]-7H-purin-8-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-(cyclopropylamino)-6-methyl-9-(2-piperidin-4-ylethyl)-7H-purin-8-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-(cyclopropylamino)-6-methyl-9-[2-(4-piperidyl)ethyl]-7H-purin-8-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NC3CC3)N(C(=C4C=CC=CC4=O)N2)CCC5CCNCC5

Isomeric SMILES

CC1=C2C(=NC(=N1)NC3CC3)N(/C(=C/4\C=CC=CC4=O)/N2)CCC5CCNCC5

InChI

InChI=1S/C22H28N6O/c1-14-19-21(27-22(24-14)25-16-6-7-16)28(13-10-15-8-11-23-12-9-15)20(26-19)17-4-2-3-5-18(17)29/h2-5,15-16,23,26H,6-13H2,1H3,(H,24,25,27)/b20-17+