N-butyl-N-[(E)-2-[9-(phenylmethyl)purin-6-yl]ethenyl]butan-1-amine

Systemtic Name: N-butyl-N-[(E)-2-[9-(phenylmethyl)purin-6-yl]ethenyl]butan-1-amine Openeye Name: N-[(E)-2-(9-benzylpurin-6-yl)vinyl]-N-butyl-butan-1-amine CAS Name: N-butyl-N-[(E)-2-[9-(phenylmethyl)-6-purinyl]ethenyl]-1-butanamine IUPAC Name: N-[(E)-2-(9-benzylpurin-6-yl)ethenyl]-N-butylbutan-1-amine Traditional Name: [(E)-2-(9-benzylpurin-6-yl)vinyl]-dibutyl-amine Formula: C22H29N5 MolecularWeight: 363.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=CC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN(CCCC)/C=C/C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5/c1-3-5-13-26(14-6-4-2)15-12-20-21-22(24-17-23-20)27(18-25-21)16-19-10-8-7-9-11-19/h7-12,15,17-18H,3-6,13-14,16H2,1-2H3/b15-12+