4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-N-pentan-2-yl-benzamide

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-N-pentan-2-yl-benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-(1-methylbutyl)benzamide CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-pentan-2-ylbenzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-pentan-2-ylbenzamide Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-N-(1-methylbutyl)benzamide Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CCCC(C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H23N7O2/c1-3-4-11(2)23-17(27)12-5-7-13(8-6-12)21-9-14-10-22-16-15(24-14)18(28)26-19(20)25-16/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,23,27)(H3,20,22,25,26,28)