N-[(1S,2R,3S)-4-[2-[(3R)-3-azanylpyrrolidin-1-yl]-6-(pentan-3-ylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide

Systemtic Name: N-[(1S,2R,3S)-4-[2-[(3R)-3-azanylpyrrolidin-1-yl]-6-(pentan-3-ylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S)-4-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-(1-ethylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S)-4-[2-[(3R)-3-amino-1-pyrrolidinyl]-6-(pentan-3-ylamino)-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S)-4-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-(pentan-3-ylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S)-4-[2-[(3R)-3-aminopyrrolidino]-6-(1-ethylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C22H36N8O3 MolecularWeight: 460.57304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3CC(C(C3O)O)NC(=O)CC)N4CCC(C4)N

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C[C@@H]([C@H]([C@H]3O)O)NC(=O)CC)N4CC[C@H](C4)N

InChI

InChI=1S/C22H36N8O3/c1-4-13(5-2)25-20-17-21(28-22(27-20)29-8-7-12(23)10-29)30(11-24-17)15-9-14(18(32)19(15)33)26-16(31)6-3/h11-15,18-19,32-33H,4-10,23H2,1-3H3,(H,26,31)(H,25,27,28)/t12-,14+,15?,18-,19+/m1/s1