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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-6-nitro-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dichlorobenzyl)-[6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H11Cl2N5O2S MolecularWeight: 432.28324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H11Cl2N5O2S/c19-13-4-3-10(6-14(13)20)8-22-17-12-7-15(25(26)27)28-18(12)24-16(23-17)11-2-1-5-21-9-11/h1-7,9H,8H2,(H,22,23,24)