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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-chloro-4-methyl-phenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (2-chloro-4-methyl-phenyl)-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC=N2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC=N2)Cl

InChI

InChI=1S/C17H16ClN3S/c1-10-6-7-13(12(18)8-10)21-16-15-11-4-2-3-5-14(11)22-17(15)20-9-19-16/h6-9H,2-5H2,1H3,(H,19,20,21)