[(1S,4R)-4-[2-azanyl-6-(butan-2-ylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol

Systemtic Name: [(1S,4R)-4-[2-azanyl-6-(butan-2-ylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol Openeye Name: [(1S,4R)-4-[2-amino-6-(sec-butylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol CAS Name: [(1S,4R)-4-[2-amino-6-(butan-2-ylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol IUPAC Name: [(1S,4R)-4-[2-amino-6-(butan-2-ylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol Traditional Name: [(1S,4R)-4-[2-amino-6-(sec-butylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol Formula: C15H22N6O MolecularWeight: 302.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC2=C1N=CN2C3CC(C=C3)CO)N

Isomeric SMILES

CCC(C)NC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N

InChI

InChI=1S/C15H22N6O/c1-3-9(2)18-13-12-14(20-15(16)19-13)21(8-17-12)11-5-4-10(6-11)7-22/h4-5,8-11,22H,3,6-7H2,1-2H3,(H3,16,18,19,20)/t9?,10-,11+/m1/s1