7-(4-methylpiperazin-1-yl)carbonyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-(4-methylpiperazin-1-yl)carbonyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-(4-methylpiperazine-1-carbonyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 7-[(4-methyl-1-piperazinyl)-oxomethyl]-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-(4-methylpiperazine-1-carbonyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(2-keto-2-pyrrolidino-ethyl)thio]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)N4CCCC4)CC=C

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)N4CCCC4)CC=C

InChI

InChI=1S/C23H29N5O3S/c1-3-8-28-22(31)18-7-6-17(21(30)27-13-11-25(2)12-14-27)15-19(18)24-23(28)32-16-20(29)26-9-4-5-10-26/h3,6-7,15H,1,4-5,8-14,16H2,2H3