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

Systemtic Name: N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-(1-methyl-4-piperidyl)amine Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(C)C4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(C)C4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O2S/c1-12-5-4-6-14-15(12)22-19(29-14)23-17-16(26(27)28)18(21-11-20-17)25(3)13-7-9-24(2)10-8-13/h4-6,11,13H,7-10H2,1-3H3,(H,20,21,22,23)