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

Systemtic Name: N-(4-azanylbutyl)-4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]benzamide Openeye Name: N-(4-aminobutyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzamide CAS Name: N-(4-aminobutyl)-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]benzamide IUPAC Name: N-(4-aminobutyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide Traditional Name: N-(4-aminobutyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzamide Formula: C19H25N9O MolecularWeight: 395.4615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N9O/c1-28(11-13-10-24-17-15(25-13)16(21)26-19(22)27-17)14-6-4-12(5-7-14)18(29)23-9-3-2-8-20/h4-7,10H,2-3,8-9,11,20H2,1H3,(H,23,29)(H4,21,22,24,26,27)