[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 2-methoxybenzoate

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 2-methoxybenzoate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [2-[(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-butylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H28N4O6/c1-4-6-12-24(17-18(22)25(11-5-2)21(29)23-19(17)27)16(26)13-31-20(28)14-9-7-8-10-15(14)30-3/h7-10H,4-6,11-13,22H2,1-3H3,(H,23,27,29)