N-[2,4-bis(oxidanylidene)-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazolin-6-yl]ethanamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazolin-6-yl]ethanamide Openeye Name: N-[2,4-dioxo-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazolin-6-yl]acetamide CAS Name: N-[2,4-dioxo-3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1H-quinazolin-6-yl]acetamide IUPAC Name: N-[2,4-dioxo-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazolin-6-yl]acetamide Traditional Name: N-[2,4-diketo-3-[4-[4-(2-pyrimidyl)piperazino]butyl]-1H-quinazolin-6-yl]acetamide Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)NC(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)NC(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N7O3/c1-16(30)25-17-5-6-19-18(15-17)20(31)29(22(32)26-19)10-3-2-9-27-11-13-28(14-12-27)21-23-7-4-8-24-21/h4-8,15H,2-3,9-14H2,1H3,(H,25,30)(H,26,32)