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

Systemtic Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H18N6O3S/c1-25(11-13-6-4-3-5-7-13)19-17(26(27)28)18(21-12-22-19)24-20-23-15-9-8-14(29-2)10-16(15)30-20/h3-10,12H,11H2,1-2H3,(H,21,22,23,24)