(E)-3-[(4-ethylphenyl)amino]-2-[9-(methoxymethyl)purin-6-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[(4-ethylphenyl)amino]-2-[9-(methoxymethyl)purin-6-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-ethylanilino)-2-[9-(methoxymethyl)purin-6-yl]prop-2-enenitrile CAS Name: (E)-3-(4-ethylanilino)-2-[9-(methoxymethyl)-6-purinyl]-2-propenenitrile IUPAC Name: (E)-3-(4-ethylanilino)-2-[9-(methoxymethyl)purin-6-yl]prop-2-enenitrile Traditional Name: (E)-3-(4-ethylanilino)-2-[9-(methoxymethyl)purin-6-yl]acrylonitrile Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC=C(C#N)C2=C3C(=NC=N2)N(C=N3)COC

Isomeric SMILES

CCC1=CC=C(C=C1)N/C=C(/C#N)\C2=C3C(=NC=N2)N(C=N3)COC

InChI

InChI=1S/C18H18N6O/c1-3-13-4-6-15(7-5-13)20-9-14(8-19)16-17-18(22-10-21-16)24(11-23-17)12-25-2/h4-7,9-11,20H,3,12H2,1-2H3/b14-9-