2-[(6-chloranylpyrimidin-4-yl)amino]-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione

Systemtic Name: 2-[(6-chloranylpyrimidin-4-yl)amino]-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione Openeye Name: 2-[(6-chloropyrimidin-4-yl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]-1-[4-(1-piperidyl)-1-piperidyl]butane-1,4-dione CAS Name: 2-[(6-chloro-4-pyrimidinyl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]-1-[4-(1-piperidinyl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 2-[(6-chloropyrimidin-4-yl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione Traditional Name: 2-[(6-chloropyrimidin-4-yl)amino]-4-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-1-(4-piperidinopiperidino)butane-1,4-dione Formula: C31H41ClN8O3 MolecularWeight: 609.16204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)NC6=CC(=NC=N6)Cl

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)NC6=CC(=NC=N6)Cl

InChI

InChI=1S/C31H41ClN8O3/c32-27-19-28(34-21-33-27)35-26(30(42)39-16-8-23(9-17-39)37-12-4-1-5-13-37)18-29(41)38-14-10-24(11-15-38)40-20-22-6-2-3-7-25(22)36-31(40)43/h2-3,6-7,19,21,23-24,26H,1,4-5,8-18,20H2,(H,36,43)(H,33,34,35)