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

Systemtic Name: N4,N6-bis(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H15N7O2S2 MolecularWeight: 449.5088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NC4=NC5=C(C=CC=C5S4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NC4=NC5=C(C=CC=C5S4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H15N7O2S2/c1-10-5-3-7-12-14(10)23-19(30-12)25-17-16(27(28)29)18(22-9-21-17)26-20-24-15-11(2)6-4-8-13(15)31-20/h3-9H,1-2H3,(H2,21,22,23,24,25,26)