7,7-dimethyl-4-(prop-2-enylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one

Systemtic Name: 7,7-dimethyl-4-(prop-2-enylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one Openeye Name: 4-(allylamino)-7,7-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one CAS Name: 7,7-dimethyl-4-(prop-2-enylamino)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6,8-dihydroquinazolin-5-one IUPAC Name: 7,7-dimethyl-4-(prop-2-enylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one Traditional Name: 4-(allylamino)-7,7-dimethyl-2-[4-(2-pyrimidyl)piperazino]-6,8-dihydroquinazolin-5-one Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)C4=NC=CC=N4)NCC=C)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)C4=NC=CC=N4)NCC=C)C

InChI

InChI=1S/C21H27N7O/c1-4-6-22-18-17-15(13-21(2,3)14-16(17)29)25-20(26-18)28-11-9-27(10-12-28)19-23-7-5-8-24-19/h4-5,7-8H,1,6,9-14H2,2-3H3,(H,22,25,26)