N4-(3,5-dimethylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(3,5-dimethylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-(phenylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-phenylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(phenylthio)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H18N4S/c1-12-8-13(2)10-14(9-12)22-17-16(19)18(21-11-20-17)23-15-6-4-3-5-7-15/h3-11H,19H2,1-2H3,(H,20,21,22)