1-[(3S)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-bis(oxidanyl)cyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-pyridin-4-yl-urea

Systemtic Name: 1-[(3S)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-bis(oxidanyl)cyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-pyridin-4-yl-urea Openeye Name: 1-[(3S)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-dihydroxy-cyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-(4-pyridyl)urea CAS Name: 1-[(3S)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-1-pyrazolyl)-2,3-dihydroxycyclopentyl]-2-purinyl]-3-pyrrolidinyl]-3-pyridin-4-ylurea IUPAC Name: 1-[(3S)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-pyridin-4-ylurea Traditional Name: 1-[(3S)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-dihydroxy-cyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-(4-pyridyl)urea Formula: C39H43N11O3 MolecularWeight: 713.83062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(N=C1)C2CC(C(C2O)O)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)N7CCC(C7)NC(=O)NC8=CC=NC=C8

Isomeric SMILES

CCC1=CN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)N7CC[C@@H](C7)NC(=O)NC8=CC=NC=C8

InChI

InChI=1S/C39H43N11O3/c1-2-25-20-43-50(22-25)32-19-31(34(51)35(32)52)49-24-42-33-36(41-21-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27)46-38(47-37(33)49)48-18-15-29(23-48)45-39(53)44-28-13-16-40-17-14-28/h3-14,16-17,20,22,24,29-32,34-35,51-52H,2,15,18-19,21,23H2,1H3,(H,41,46,47)(H2,40,44,45,53)/t29-,31+,32-,34-,35+/m0/s1