N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3)OC

InChI

InChI=1S/C17H18N6O4S/c1-26-12-4-3-11(9-13(12)27-2)5-6-18-15-14(23(24)25)16(21-10-20-15)22-17-19-7-8-28-17/h3-4,7-10H,5-6H2,1-2H3,(H2,18,19,20,21,22)