ethyl (E)-3-[(phenylmethyl)amino]-2-(7H-purin-6-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-[(phenylmethyl)amino]-2-(7H-purin-6-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(benzylamino)-2-(7H-purin-6-yl)prop-2-enoate CAS Name: (E)-3-[(phenylmethyl)amino]-2-(7H-purin-6-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzylamino)-2-(7H-purin-6-yl)prop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-(7H-purin-6-yl)acrylic acid ethyl ester Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNCC1=CC=CC=C1)C2=C3C(=NC=N2)N=CN3

Isomeric SMILES

CCOC(=O)/C(=C/NCC1=CC=CC=C1)/C2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C17H17N5O2/c1-2-24-17(23)13(9-18-8-12-6-4-3-5-7-12)14-15-16(21-10-19-14)22-11-20-15/h3-7,9-11,18H,2,8H2,1H3,(H,19,20,21,22)/b13-9+