N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(C)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(C)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O2S/c1-13-7-6-10-15-16(13)23-20(29-15)24-18-17(26(27)28)19(22-12-21-18)25(2)11-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H,21,22,23,24)