(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol

Systemtic Name: (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Openeye Name: (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol CAS Name: (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol IUPAC Name: (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Traditional Name: (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Formula: C30H27N5O6 MolecularWeight: 553.56528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC4C(C(C(C5=C4C6=C7C(=C5)C=CC8=C7C(=CC=C8)C=C6)O)O)O)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N[C@@H]4[C@H]([C@H]([C@@H](C5=C4C6=C7C(=C5)C=CC8=C7C(=CC=C8)C=C6)O)O)O)CO)O

InChI

InChI=1S/C30H27N5O6/c36-10-19-18(37)9-20(41-19)35-12-33-25-29(31-11-32-30(25)35)34-24-23-16-7-6-14-3-1-2-13-4-5-15(22(16)21(13)14)8-17(23)26(38)28(40)27(24)39/h1-8,11-12,18-20,24,26-28,36-40H,9-10H2,(H,31,32,34)/t18-,19+,20+,24-,26+,27+,28-/m0/s1