N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxidanylidene-pteridin-8-yl]ethyl]thiophene-3-carboxamide

Systemtic Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxidanylidene-pteridin-8-yl]ethyl]thiophene-3-carboxamide Openeye Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-pteridin-8-yl]ethyl]thiophene-3-carboxamide CAS Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-8-pteridinyl]ethyl]-3-thiophenecarboxamide IUPAC Name: N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]thiophene-3-carboxamide Traditional Name: N-[2-[2-[(3,4-dichlorobenzyl)amino]-7-keto-pteridin-8-yl]ethyl]thiophene-3-carboxamide Formula: C20H16Cl2N6O2S MolecularWeight: 475.35104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC=C3C(=N2)N(C(=O)C=N3)CCNC(=O)C4=CSC=C4)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC=C3C(=N2)N(C(=O)C=N3)CCNC(=O)C4=CSC=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N6O2S/c21-14-2-1-12(7-15(14)22)8-25-20-26-9-16-18(27-20)28(17(29)10-24-16)5-4-23-19(30)13-3-6-31-11-13/h1-3,6-7,9-11H,4-5,8H2,(H,23,30)(H,25,26,27)