3-[[7-butan-2-yl-4-(5-carbamimidoyl-2-methyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[7-butan-2-yl-4-(5-carbamimidoyl-2-methyl-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(5-carbamimidoyl-2-methyl-phenoxy)-6-oxo-7-sec-butyl-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[7-butan-2-yl-4-(5-carbamimidoyl-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[7-butan-2-yl-4-(5-carbamimidoyl-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(5-amidino-2-methyl-phenoxy)-6-keto-7-sec-butyl-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C27H31N7O4 MolecularWeight: 517.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC2=C(N1)N=C(N=C2OC3=C(C=CC(=C3)C(=N)N)C)OC4=CC=CC(=C4)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1C(=O)NC2=C(N1)N=C(N=C2OC3=C(C=CC(=C3)C(=N)N)C)OC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C27H31N7O4/c1-6-14(2)20-24(35)31-21-23(30-20)32-27(37-18-9-7-8-17(12-18)26(36)34(4)5)33-25(21)38-19-13-16(22(28)29)11-10-15(19)3/h7-14,20H,6H2,1-5H3,(H3,28,29)(H,31,35)(H,30,32,33)