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

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

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

Isomeric SMILES

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

InChI

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