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

Systemtic Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H20N8O2S MolecularWeight: 400.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NN4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NN4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N8O2S/c1-11-4-3-5-12-13(11)20-17(28-12)21-15-14(25(26)27)16(19-10-18-15)22-24-8-6-23(2)7-9-24/h3-5,10H,6-9H2,1-2H3,(H2,18,19,20,21,22)