N-[(Z)-2-[9-(phenylmethyl)purin-6-yl]ethenyl]cyclohexanamine

Systemtic Name: N-[(Z)-2-[9-(phenylmethyl)purin-6-yl]ethenyl]cyclohexanamine Openeye Name: N-[(Z)-2-(9-benzylpurin-6-yl)vinyl]cyclohexanamine CAS Name: N-[(Z)-2-[9-(phenylmethyl)-6-purinyl]ethenyl]cyclohexanamine IUPAC Name: N-[(Z)-2-(9-benzylpurin-6-yl)ethenyl]cyclohexanamine Traditional Name: [(Z)-2-(9-benzylpurin-6-yl)vinyl]-cyclohexyl-amine Formula: C20H23N5 MolecularWeight: 333.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC=CC2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N/C=C\C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5/c1-3-7-16(8-4-1)13-25-15-24-19-18(22-14-23-20(19)25)11-12-21-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,14-15,17,21H,2,5-6,9-10,13H2/b12-11-