4-azanyl-2-butoxy-8-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione

Systemtic Name: 4-azanyl-2-butoxy-8-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butoxy-8-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-butoxy-8-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butoxy-8-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-butoxy-8-[2-(pyrrolidinomethyl)benzyl]-5H-pteridine-6,7-quinone Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C22H28N6O3/c1-2-3-12-31-22-25-18(23)17-19(26-22)28(21(30)20(29)24-17)14-16-9-5-4-8-15(16)13-27-10-6-7-11-27/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,24,29)(H2,23,25,26)