methyl 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]benzoate

Systemtic Name: methyl 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]benzoate Openeye Name: methyl 4-[5-(1-ethylpropylamino)-6-methoxy-3-methyl-pyrazin-2-yl]-3,5-dimethoxy-benzoate CAS Name: 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)-2-pyrazinyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]benzoate Traditional Name: 4-[5-(1-ethylpropylamino)-6-methoxy-3-methyl-pyrazin-2-yl]-3,5-dimethoxy-benzoic acid methyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=C(N=C1OC)C2=C(C=C(C=C2OC)C(=O)OC)OC)C

Isomeric SMILES

CCC(CC)NC1=NC(=C(N=C1OC)C2=C(C=C(C=C2OC)C(=O)OC)OC)C

InChI

InChI=1S/C21H29N3O5/c1-8-14(9-2)23-19-20(28-6)24-18(12(3)22-19)17-15(26-4)10-13(21(25)29-7)11-16(17)27-5/h10-11,14H,8-9H2,1-7H3,(H,22,23)