heptyl 4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: heptyl 4-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: heptyl 4-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid heptyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N3O5/c1-4-5-6-7-8-13-29-20(27)15-9-11-16(12-10-15)22-14-17-18(25)23(2)21(28)24(3)19(17)26/h9-12,14,22H,4-8,13H2,1-3H3