9-(2-bromoethyloxymethyl)-2-[(4-butylphenyl)amino]-3H-purin-6-one

Systemtic Name: 9-(2-bromoethyloxymethyl)-2-[(4-butylphenyl)amino]-3H-purin-6-one Openeye Name: 9-(2-bromoethoxymethyl)-2-(4-butylanilino)-3H-purin-6-one CAS Name: 9-(2-bromoethoxymethyl)-2-(4-butylanilino)-3H-purin-6-one IUPAC Name: 9-(2-bromoethoxymethyl)-2-(4-butylanilino)-3H-purin-6-one Traditional Name: 9-(2-bromoethoxymethyl)-2-(4-butylanilino)-3H-purin-6-one Formula: C18H22BrN5O2 MolecularWeight: 420.30358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)COCCBr

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)COCCBr

InChI

InChI=1S/C18H22BrN5O2/c1-2-3-4-13-5-7-14(8-6-13)21-18-22-16-15(17(25)23-18)20-11-24(16)12-26-10-9-19/h5-8,11H,2-4,9-10,12H2,1H3,(H2,21,22,23,25)