5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N4-(2-pyridyl)-N6-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C19H15N7O2S MolecularWeight: 405.4331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=NC=CS4

InChI

InChI=1S/C19H15N7O2S/c27-26(28)16-17(24-19-21-10-11-29-19)22-13-23-18(16)25(15-8-4-5-9-20-15)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,21,22,23,24)