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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylphenyl)sulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(p-tolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[(4-methylphenyl)thio]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(p-tolylthio)pyrimidin-4-yl]-piperonyl-amine Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O2S/c1-12-2-5-14(6-3-12)26-19-17(20)18(22-10-23-19)21-9-13-4-7-15-16(8-13)25-11-24-15/h2-8,10H,9,11,20H2,1H3,(H,21,22,23)