N4-(4-butylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(phenylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-phenylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(phenylthio)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4S/c1-2-3-7-15-10-12-16(13-11-15)24-19-18(21)20(23-14-22-19)25-17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,21H2,1H3,(H,22,23,24)