2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C17H21N7O2S/c1-10(2)4-7-24-16(26)14-15(19-6-5-18-14)21-17(24)27-9-13(25)20-12-8-11(3)22-23-12/h5-6,8,10H,4,7,9H2,1-3H3,(H2,20,22,23,25)