3-methyl-1-pyrimidin-2-yl-4-thiophen-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3-methyl-1-pyrimidin-2-yl-4-thiophen-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-1-pyrimidin-2-yl-4-(3-thienyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-1-(2-pyrimidinyl)-4-(3-thiophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-1-pyrimidin-2-yl-4-thiophen-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-1-(2-pyrimidyl)-4-(3-thienyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C15H13N5OS2 MolecularWeight: 343.42662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CSC=C4

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CSC=C4

InChI

InChI=1S/C15H13N5OS2/c1-9-12-13(10-3-6-22-7-10)23-8-11(21)18-14(12)20(19-9)15-16-4-2-5-17-15/h2-7,13,19H,8H2,1H3