N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N5O4S/c1-28-16-6-5-14(12-17(16)29-2)7-9-21-19-18(25(26)27)20(24-13-23-19)22-10-8-15-4-3-11-30-15/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,23,24)