ethyl (E)-3-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoate CAS Name: (E)-3-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoate Traditional Name: (E)-3-[2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]acrylic acid ethyl ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=O)N=C(N1)N)CCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=O)N=C(N1)N)CCCCC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O3/c1-2-25-17(23)13-12-16-15(18(24)22-19(20)21-16)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H3,20,21,22,24)/b13-12+