4-chloranyl-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-chloro-7-methyl-2-(3-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-chloro-7-methyl-2-(3-pyridinyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-chloro-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-chloro-7-methyl-2-(3-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl

InChI

InChI=1S/C16H14ClN3S/c1-9-4-5-11-12(7-9)21-16-13(11)14(17)19-15(20-16)10-3-2-6-18-8-10/h2-3,6,8-9H,4-5,7H2,1H3