ethyl (E)-2-[9-(methoxymethyl)purin-6-yl]-3-[(phenylmethyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-[9-(methoxymethyl)purin-6-yl]-3-[(phenylmethyl)amino]prop-2-enoate Openeye Name: ethyl (E)-3-(benzylamino)-2-[9-(methoxymethyl)purin-6-yl]prop-2-enoate CAS Name: (E)-2-[9-(methoxymethyl)-6-purinyl]-3-[(phenylmethyl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzylamino)-2-[9-(methoxymethyl)purin-6-yl]prop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-[9-(methoxymethyl)purin-6-yl]acrylic acid ethyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNCC1=CC=CC=C1)C2=C3C(=NC=N2)N(C=N3)COC

Isomeric SMILES

CCOC(=O)/C(=C/NCC1=CC=CC=C1)/C2=C3C(=NC=N2)N(C=N3)COC

InChI

InChI=1S/C19H21N5O3/c1-3-27-19(25)15(10-20-9-14-7-5-4-6-8-14)16-17-18(22-11-21-16)24(12-23-17)13-26-2/h4-8,10-12,20H,3,9,13H2,1-2H3/b15-10+