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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dichlorophenyl)methyl]-2-(1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dichlorobenzyl)-(2-pyrazol-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C20H17Cl2N5S MolecularWeight: 430.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)N4C=CC=N4)NCC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)N4C=CC=N4)NCC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5S/c21-14-7-6-12(10-15(14)22)11-23-18-17-13-4-1-2-5-16(13)28-19(17)26-20(25-18)27-9-3-8-24-27/h3,6-10H,1-2,4-5,11H2,(H,23,25,26)