5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4)C

InChI

InChI=1S/C20H17N5O2S/c1-12-13(2)28-20-17(12)19(23-18(24-20)15-6-4-8-21-11-15)22-10-14-5-3-7-16(9-14)25(26)27/h3-9,11H,10H2,1-2H3,(H,22,23,24)