8-cyclopentyl-2-[[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]pteridin-7-one

Systemtic Name: 8-cyclopentyl-2-[[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]pteridin-7-one Openeye Name: 8-cyclopentyl-2-[4-[4-(3-piperazin-1-ylpropyl)-1-piperidyl]anilino]pteridin-7-one CAS Name: 8-cyclopentyl-2-[4-[4-[3-(1-piperazinyl)propyl]-1-piperidinyl]anilino]-7-pteridinone IUPAC Name: 8-cyclopentyl-2-[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]anilino]pteridin-7-one Traditional Name: 8-cyclopentyl-2-[4-[4-(3-piperazinopropyl)piperidino]anilino]pteridin-7-one Formula: C29H40N8O MolecularWeight: 516.6809

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCC(CC5)CCCN6CCNCC6

Isomeric SMILES

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCC(CC5)CCCN6CCNCC6

InChI

InChI=1S/C29H40N8O/c38-27-21-31-26-20-32-29(34-28(26)37(27)25-5-1-2-6-25)33-23-7-9-24(10-8-23)36-16-11-22(12-17-36)4-3-15-35-18-13-30-14-19-35/h7-10,20-22,25,30H,1-6,11-19H2,(H,32,33,34)