5-(4-methylphenyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[(3S)-2-oxo-3-azepanyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(3S)-2-ketoazepan-3-yl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC4CCCCNC4=O)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)S[C@H]4CCCCNC4=O)CC=C

InChI

InChI=1S/C22H23N3O2S2/c1-3-12-25-21(27)18-16(15-9-7-14(2)8-10-15)13-28-20(18)24-22(25)29-17-6-4-5-11-23-19(17)26/h3,7-10,13,17H,1,4-6,11-12H2,2H3,(H,23,26)/t17-/m0/s1