8-methyl-3-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one Openeye Name: 8-methyl-3-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one CAS Name: 8-methyl-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]-8-methyl-quinazolin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-16-5-2-7-18-20(16)22-15-25(21(18)27)14-19(26)24-9-4-8-23(10-11-24)13-17-6-3-12-28-17/h2-3,5-7,12,15H,4,8-11,13-14H2,1H3