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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(C1)C3=CC=C(C=C3)SC4=CC=NC=C4)C(=NC(=N2)N)N

Isomeric SMILES

C1CCC2=C(C(C1)C3=CC=C(C=C3)SC4=CC=NC=C4)C(=NC(=N2)N)N

InChI

InChI=1S/C20H21N5S/c21-19-18-16(3-1-2-4-17(18)24-20(22)25-19)13-5-7-14(8-6-13)26-15-9-11-23-12-10-15/h5-12,16H,1-4H2,(H4,21,22,24,25)