ethyl (E)-3-phenylazanyl-2-(7H-purin-6-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-phenylazanyl-2-(7H-purin-6-yl)prop-2-enoate Openeye Name: ethyl (E)-3-anilino-2-(7H-purin-6-yl)prop-2-enoate CAS Name: (E)-3-anilino-2-(7H-purin-6-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-anilino-2-(7H-purin-6-yl)prop-2-enoate Traditional Name: (E)-3-anilino-2-(7H-purin-6-yl)acrylic acid ethyl ester Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1)C2=C3C(=NC=N2)N=CN3

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1)/C2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C16H15N5O2/c1-2-23-16(22)12(8-17-11-6-4-3-5-7-11)13-14-15(20-9-18-13)21-10-19-14/h3-10,17H,2H2,1H3,(H,18,19,20,21)/b12-8+