4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-N-propyl-benzamide hydrobromide

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-N-propyl-benzamide hydrobromide Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]-N-propyl-benzamide hydrobromide CAS Name: 4-[(2,4-diamino-6-pteridinyl)methylamino]-N-propylbenzamide hydrobromide IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]-N-propylbenzamide hydrobromide Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]-N-propyl-benzamide hydrobromide Formula: C17H21BrN8O MolecularWeight: 433.30564

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.Br

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.Br

InChI

InChI=1S/C17H20N8O.BrH/c1-2-7-20-16(26)10-3-5-11(6-4-10)21-8-12-9-22-15-13(23-12)14(18)24-17(19)25-15;/h3-6,9,21H,2,7-8H2,1H3,(H,20,26)(H4,18,19,22,24,25);1H