2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(4-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl]thio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C

InChI

InChI=1S/C27H28N4O3S/c1-17-10-11-28-25(13-17)31-26(33)21-8-4-5-9-23(21)29-27(31)35-16-24(32)22-14-18(2)30(19(22)3)15-20-7-6-12-34-20/h4-5,8-11,13-14,20H,6-7,12,15-16H2,1-3H3