N4-(4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine

Systemtic Name: N4-(4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine Openeye Name: N4-[4-(4-pyridylsulfanyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine CAS Name: N4-[4-(pyridin-4-ylthio)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine Traditional Name: (2-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)-[4-(4-pyridylthio)phenyl]amine Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(N=C2NC3=CC=C(C=C3)SC4=CC=NC=C4)N

Isomeric SMILES

C1CCC2=C(CC1)N=C(N=C2NC3=CC=C(C=C3)SC4=CC=NC=C4)N

InChI

InChI=1S/C20H21N5S/c21-20-24-18-5-3-1-2-4-17(18)19(25-20)23-14-6-8-15(9-7-14)26-16-10-12-22-13-11-16/h6-13H,1-5H2,(H3,21,23,24,25)