2-azanyl-6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-purin-8-one Openeye Name: 7-allyl-2-amino-9-[4-benzyloxy-3-(benzyloxymethyl)butyl]-6-chloro-purin-8-one CAS Name: 2-amino-6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-8-purinone IUPAC Name: 2-amino-6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enylpurin-8-one Traditional Name: 7-allyl-2-amino-9-[4-benzoxy-3-(benzoxymethyl)butyl]-6-chloro-purin-8-one Formula: C27H30ClN5O3 MolecularWeight: 508.0118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(N=C(N=C2Cl)N)N(C1=O)CCC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C2=C(N=C(N=C2Cl)N)N(C1=O)CCC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C27H30ClN5O3/c1-2-14-32-23-24(28)30-26(29)31-25(23)33(27(32)34)15-13-22(18-35-16-20-9-5-3-6-10-20)19-36-17-21-11-7-4-8-12-21/h2-12,22H,1,13-19H2,(H2,29,30,31)