N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-4-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-nitro-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-veratryl-amine Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C4=CC=NC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C4=CC=NC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N5O4S/c1-28-15-4-3-12(9-16(15)29-2)11-22-19-14-10-17(25(26)27)30-20(14)24-18(23-19)13-5-7-21-8-6-13/h3-10H,11H2,1-2H3,(H,22,23,24)