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

Systemtic Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H20N8O3S MolecularWeight: 416.4575

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C17H20N8O3S/c1-23-5-7-24(8-6-23)22-16-14(25(26)27)15(18-10-19-16)21-17-20-12-4-3-11(28-2)9-13(12)29-17/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20,21,22)