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

Systemtic Name: 2-azanyl-N-(4-azanylbutyl)-N-[2-[2,4-bis(azanyl)pteridin-6-yl]ethanoyl]benzamide Openeye Name: 2-amino-N-(4-aminobutyl)-N-[2-(2,4-diaminopteridin-6-yl)acetyl]benzamide CAS Name: 2-amino-N-(4-aminobutyl)-N-[2-(2,4-diamino-6-pteridinyl)-1-oxoethyl]benzamide IUPAC Name: 2-amino-N-(4-aminobutyl)-N-[2-(2,4-diaminopteridin-6-yl)acetyl]benzamide Traditional Name: 2-amino-N-(4-aminobutyl)-N-[2-(2,4-diaminopteridin-6-yl)acetyl]benzamide Formula: C19H23N9O2 MolecularWeight: 409.44502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(CCCCN)C(=O)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(CCCCN)C(=O)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)N

InChI

InChI=1S/C19H23N9O2/c20-7-3-4-8-28(18(30)12-5-1-2-6-13(12)21)14(29)9-11-10-24-17-15(25-11)16(22)26-19(23)27-17/h1-2,5-6,10H,3-4,7-9,20-21H2,(H4,22,23,24,26,27)