methyl 3-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-3-oxo-propanoate CAS Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-3-oxopropanoate Traditional Name: 3-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]amino]-3-keto-propionic acid methyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)CC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)CC(=O)OC

InChI

InChI=1S/C18H22N4O6/c1-25-12-6-10(7-13(26-2)16(12)28-4)5-11-9-20-18(22-17(11)19)21-14(23)8-15(24)27-3/h6-7,9H,5,8H2,1-4H3,(H3,19,20,21,22,23)