2-azanylidene-6-[[[3,4-bis(chloranyl)-2-propyl-phenyl]amino]methyl]-8-oxidanyl-pteridin-4-amine

Systemtic Name: 2-azanylidene-6-[[[3,4-bis(chloranyl)-2-propyl-phenyl]amino]methyl]-8-oxidanyl-pteridin-4-amine Openeye Name: 6-[(3,4-dichloro-2-propyl-anilino)methyl]-8-hydroxy-2-imino-pteridin-4-amine CAS Name: 6-[(3,4-dichloro-2-propylanilino)methyl]-8-hydroxy-2-imino-4-pteridinamine IUPAC Name: 6-[(3,4-dichloro-2-propylanilino)methyl]-8-hydroxy-2-iminopteridin-4-amine Traditional Name: (4-amino-8-hydroxy-2-imino-pteridin-6-yl)methyl-(3,4-dichloro-2-propyl-phenyl)amine Formula: C16H17Cl2N7O MolecularWeight: 394.25848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1Cl)Cl)NCC2=CN(C3=NC(=N)N=C(C3=N2)N)O

Isomeric SMILES

CCCC1=C(C=CC(=C1Cl)Cl)NCC2=CN(C3=NC(=N)N=C(C3=N2)N)O

InChI

InChI=1S/C16H17Cl2N7O/c1-2-3-9-11(5-4-10(17)12(9)18)21-6-8-7-25(26)15-13(22-8)14(19)23-16(20)24-15/h4-5,7,21,26H,2-3,6H2,1H3,(H3,19,20,23)