1-[1-(6-chloranylpyridin-2-yl)piperidin-4-yl]-3-[(3S)-1-[9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-bis(oxidanyl)cyclopentyl]-6-(pentan-3-ylamino)purin-2-yl]pyrrolidin-3-yl]urea

Systemtic Name: 1-[1-(6-chloranylpyridin-2-yl)piperidin-4-yl]-3-[(3S)-1-[9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-bis(oxidanyl)cyclopentyl]-6-(pentan-3-ylamino)purin-2-yl]pyrrolidin-3-yl]urea Openeye Name: 1-[1-(6-chloro-2-pyridyl)-4-piperidyl]-3-[(3S)-1-[6-(1-ethylpropylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-dihydroxy-cyclopentyl]purin-2-yl]pyrrolidin-3-yl]urea CAS Name: 1-[1-(6-chloro-2-pyridinyl)-4-piperidinyl]-3-[(3S)-1-[9-[(1R,2S,3R,4S)-4-(4-ethyl-1-pyrazolyl)-2,3-dihydroxycyclopentyl]-6-(pentan-3-ylamino)-2-purinyl]-3-pyrrolidinyl]urea IUPAC Name: 1-[1-(6-chloropyridin-2-yl)piperidin-4-yl]-3-[(3S)-1-[9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-dihydroxycyclopentyl]-6-(pentan-3-ylamino)purin-2-yl]pyrrolidin-3-yl]urea Traditional Name: 1-[1-(6-chloro-2-pyridyl)-4-piperidyl]-3-[(3S)-1-[6-(1-ethylpropylamino)-9-[(1R,2S,3R,4S)-4-(4-ethylpyrazol-1-yl)-2,3-dihydroxy-cyclopentyl]purin-2-yl]pyrrolidin-3-yl]urea Formula: C35H49ClN12O3 MolecularWeight: 721.29516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(N=C1)C2CC(C(C2O)O)N3C=NC4=C3N=C(N=C4NC(CC)CC)N5CCC(C5)NC(=O)NC6CCN(CC6)C7=NC(=CC=C7)Cl

Isomeric SMILES

CCC1=CN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C3N=C(N=C4NC(CC)CC)N5CC[C@@H](C5)NC(=O)NC6CCN(CC6)C7=NC(=CC=C7)Cl

InChI

InChI=1S/C35H49ClN12O3/c1-4-21-17-38-48(18-21)26-16-25(30(49)31(26)50)47-20-37-29-32(39-22(5-2)6-3)43-34(44-33(29)47)46-15-12-24(19-46)41-35(51)40-23-10-13-45(14-11-23)28-9-7-8-27(36)42-28/h7-9,17-18,20,22-26,30-31,49-50H,4-6,10-16,19H2,1-3H3,(H,39,43,44)(H2,40,41,51)/t24-,25+,26-,30-,31+/m0/s1