4-azanyl-8-[[2,6-bis(chloranyl)phenyl]methyl]-2-butylsulfanyl-5H-pteridine-6,7-dione

Systemtic Name: 4-azanyl-8-[[2,6-bis(chloranyl)phenyl]methyl]-2-butylsulfanyl-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butylsulfanyl-8-[(2,6-dichlorophenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(butylthio)-8-[(2,6-dichlorophenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butylsulfanyl-8-[(2,6-dichlorophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(butylthio)-8-(2,6-dichlorobenzyl)-5H-pteridine-6,7-quinone Formula: C17H17Cl2N5O2S MolecularWeight: 426.32018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C17H17Cl2N5O2S/c1-2-3-7-27-17-22-13(20)12-14(23-17)24(16(26)15(25)21-12)8-9-10(18)5-4-6-11(9)19/h4-6H,2-3,7-8H2,1H3,(H,21,25)(H2,20,22,23)