N-(3-chloranyl-2-methyl-phenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(3-chloro-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-chloro-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chloro-2-methyl-phenyl)-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C3C4=C(CCCC4)SC3=NC(=N2)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C3C4=C(CCCC4)SC3=NC(=N2)C

InChI

InChI=1S/C18H18ClN3S/c1-10-13(19)7-5-8-14(10)22-17-16-12-6-3-4-9-15(12)23-18(16)21-11(2)20-17/h5,7-8H,3-4,6,9H2,1-2H3,(H,20,21,22)