8-cyclopentyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pteridin-7-one

Systemtic Name: 8-cyclopentyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pteridin-7-one Openeye Name: 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]pteridin-7-one CAS Name: 8-cyclopentyl-2-[4-(4-methyl-1-piperazinyl)anilino]-7-pteridinone IUPAC Name: 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]pteridin-7-one Traditional Name: 8-cyclopentyl-2-[4-(4-methylpiperazino)anilino]pteridin-7-one Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=N4)C5CCCC5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=N4)C5CCCC5

InChI

InChI=1S/C22H27N7O/c1-27-10-12-28(13-11-27)17-8-6-16(7-9-17)25-22-24-14-19-21(26-22)29(20(30)15-23-19)18-4-2-3-5-18/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,24,25,26)