1-tert-butyl-3-[2-[[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]pteridin-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[2-[[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]pteridin-7-yl]urea Openeye Name: 1-tert-butyl-3-[2-[4-[4-(3-piperazin-1-ylpropyl)-1-piperidyl]anilino]pteridin-7-yl]urea CAS Name: 1-tert-butyl-3-[2-[4-[4-[3-(1-piperazinyl)propyl]-1-piperidinyl]anilino]-7-pteridinyl]urea IUPAC Name: 1-tert-butyl-3-[2-[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]anilino]pteridin-7-yl]urea Traditional Name: 1-tert-butyl-3-[2-[4-[4-(3-piperazinopropyl)piperidino]anilino]pteridin-7-yl]urea Formula: C29H42N10O MolecularWeight: 546.71018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NC2=NC(=NC=C2N=C1)NC3=CC=C(C=C3)N4CCC(CC4)CCCN5CCNCC5

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NC2=NC(=NC=C2N=C1)NC3=CC=C(C=C3)N4CCC(CC4)CCCN5CCNCC5

InChI

InChI=1S/C29H42N10O/c1-29(2,3)37-28(40)35-25-20-31-24-19-32-27(36-26(24)34-25)33-22-6-8-23(9-7-22)39-15-10-21(11-16-39)5-4-14-38-17-12-30-13-18-38/h6-9,19-21,30H,4-5,10-18H2,1-3H3,(H3,32,33,34,35,36,37,40)