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

Systemtic Name: N6-(4-butylphenyl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O2S/c1-2-3-4-12-5-7-13(8-6-12)21-15-14(23(24)25)16(20-11-19-15)22-17-18-9-10-26-17/h5-11H,2-4H2,1H3,(H2,18,19,20,21,22)