ethyl 2-[[4-(4-carbamimidoylphenoxy)-6-methyl-pyrimidin-2-yl]carbamoylamino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[[4-(4-carbamimidoylphenoxy)-6-methyl-pyrimidin-2-yl]carbamoylamino]-3-methyl-butanoate Openeye Name: ethyl 2-[[4-(4-carbamimidoylphenoxy)-6-methyl-pyrimidin-2-yl]carbamoylamino]-3-methyl-butanoate CAS Name: 2-[[[[4-(4-carbamimidoylphenoxy)-6-methyl-2-pyrimidinyl]amino]-oxomethyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-carbamimidoylphenoxy)-6-methylpyrimidin-2-yl]carbamoylamino]-3-methylbutanoate Traditional Name: 2-[[4-(4-amidinophenoxy)-6-methyl-pyrimidin-2-yl]carbamoylamino]-3-methyl-butyric acid ethyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)NC1=NC(=CC(=N1)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)NC1=NC(=CC(=N1)OC2=CC=C(C=C2)C(=N)N)C

InChI

InChI=1S/C20H26N6O4/c1-5-29-18(27)16(11(2)3)25-20(28)26-19-23-12(4)10-15(24-19)30-14-8-6-13(7-9-14)17(21)22/h6-11,16H,5H2,1-4H3,(H3,21,22)(H2,23,24,25,26,28)