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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

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