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-[(3-hydroxyphenyl)methyl]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-[(3-hydroxyphenyl)methyl]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-[(3-hydroxyphenyl)methyl]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-[(3-hydroxyphenyl)methyl]urea 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-[(3-hydroxyphenyl)methyl]urea 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-(3-hydroxybenzyl)urea Formula: C41H46N10O4 MolecularWeight: 742.86854

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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)NCC8=CC(=CC=C8)O

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)NCC8=CC(=CC=C8)O

InChI

InChI=1S/C41H46N10O4/c1-2-26-21-45-51(23-26)34-19-33(36(53)37(34)54)50-25-44-35-38(42-22-32(28-11-5-3-6-12-28)29-13-7-4-8-14-29)47-40(48-39(35)50)49-17-16-30(24-49)46-41(55)43-20-27-10-9-15-31(52)18-27/h3-15,18,21,23,25,30,32-34,36-37,52-54H,2,16-17,19-20,22,24H2,1H3,(H,42,47,48)(H2,43,46,55)/t30-,33+,34-,36-,37+/m0/s1