N-(2-diethylaminoethyl)-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzamide Formula: C30H37N9O MolecularWeight: 539.67448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C30H37N9O/c1-3-37(4-2)17-16-31-29(40)23-10-12-24(13-11-23)34-28-25-8-5-6-9-26(25)35-27(36-28)22-38-18-20-39(21-19-38)30-32-14-7-15-33-30/h5-15H,3-4,16-22H2,1-2H3,(H,31,40)(H,34,35,36)