N4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-(p-tolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenyl)thio]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(p-tolylthio)pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O2S/c1-11-2-5-13(6-3-11)25-18-16(19)17(20-9-21-18)22-12-4-7-14-15(8-12)24-10-23-14/h2-9H,10,19H2,1H3,(H,20,21,22)