2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C26H32N4O3S/c1-4-10-29-19(2)17-22(20(29)3)24(31)18-34-26-27-23-9-6-5-8-21(23)25(32)30(26)12-7-11-28-13-15-33-16-14-28/h4-6,8-9,17H,1,7,10-16,18H2,2-3H3