4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-N-(4-hydroxyphenyl)benzamide

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-N-(4-hydroxyphenyl)benzamide Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-N-(4-hydroxyphenyl)benzamide CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]-N-(4-hydroxyphenyl)benzamide IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-(4-hydroxyphenyl)benzamide Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-N-(4-hydroxyphenyl)benzamide Formula: C21H20N8O2 MolecularWeight: 416.4359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)O

InChI

InChI=1S/C21H20N8O2/c1-29(11-14-10-24-19-17(25-14)18(22)27-21(23)28-19)15-6-2-12(3-7-15)20(31)26-13-4-8-16(30)9-5-13/h2-10,30H,11H2,1H3,(H,26,31)(H4,22,23,24,27,28)