5-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: 5-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 5-(p-tolyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: 5-(4-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 5-(4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(p-tolyl)-2-[4-(3-thenyl)piperazino]pyrimidin-4-yl]amine Formula: C20H24N6S MolecularWeight: 380.50976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)CC4=CSC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)CC4=CSC=C4)N

InChI

InChI=1S/C20H24N6S/c1-14-2-4-16(5-3-14)17-18(21)23-20(24-19(17)22)26-9-7-25(8-10-26)12-15-6-11-27-13-15/h2-6,11,13H,7-10,12H2,1H3,(H4,21,22,23,24)