1-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]ethane-1,1,2-triol; oxetane

Systemtic Name: 1-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]ethane-1,1,2-triol; oxetane Openeye Name: 1-[6-[allyl(cyclohexyl)amino]purin-9-yl]ethane-1,1,2-triol; oxetane CAS Name: 1-[6-[cyclohexyl(prop-2-enyl)amino]-9-purinyl]ethane-1,1,2-triol; oxetane IUPAC Name: 1-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]ethane-1,1,2-triol; oxetane Traditional Name: 1-[6-[allyl(cyclohexyl)amino]purin-9-yl]ethane-1,1,2-triol; oxetane Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCCC1)C2=NC=NC3=C2N=CN3C(CO)(O)O.C1COC1

Isomeric SMILES

C=CCN(C1CCCCC1)C2=NC=NC3=C2N=CN3C(CO)(O)O.C1COC1

InChI

InChI=1S/C16H23N5O3.C3H6O/c1-2-8-20(12-6-4-3-5-7-12)14-13-15(18-10-17-14)21(11-19-13)16(23,24)9-22;1-2-4-3-1/h2,10-12,22-24H,1,3-9H2;1-3H2