ethyl 2-[[6-(3,3-diphenylpropylamino)purin-9-yl]methyl]prop-2-enoate

Systemtic Name: ethyl 2-[[6-(3,3-diphenylpropylamino)purin-9-yl]methyl]prop-2-enoate Openeye Name: ethyl 2-[[6-(3,3-diphenylpropylamino)purin-9-yl]methyl]prop-2-enoate CAS Name: 2-[[6-(3,3-diphenylpropylamino)-9-purinyl]methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3,3-diphenylpropylamino)purin-9-yl]methyl]prop-2-enoate Traditional Name: 2-[[6-(3,3-diphenylpropylamino)purin-9-yl]methyl]acrylic acid ethyl ester Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)CN1C=NC2=C1N=CN=C2NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(=C)CN1C=NC2=C1N=CN=C2NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2/c1-3-33-26(32)19(2)16-31-18-30-23-24(28-17-29-25(23)31)27-15-14-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,17-18,22H,2-3,14-16H2,1H3,(H,27,28,29)