1-tert-butyl-3-[2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]urea Openeye Name: 1-tert-butyl-3-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea CAS Name: 1-tert-butyl-3-[2-[4-(1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinyl]urea IUPAC Name: 1-tert-butyl-3-[2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea Traditional Name: 1-tert-butyl-3-[2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidin-7-yl]urea Formula: C22H28N8O MolecularWeight: 420.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NC2=NC(=NC=C2C=C1)NC3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NC2=NC(=NC=C2C=C1)NC3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C22H28N8O/c1-22(2,3)29-21(31)27-18-9-4-15-14-24-20(28-19(15)26-18)25-16-5-7-17(8-6-16)30-12-10-23-11-13-30/h4-9,14,23H,10-13H2,1-3H3,(H3,24,25,26,27,28,29,31)