4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c1-10-15-16(11-4-5-12(24)13(8-11)26-2)27-9-14(25)21-17(15)23(22-10)18-19-6-3-7-20-18/h3-8,16,22,24H,9H2,1-2H3