6-butyl-4-(1,4-diazepan-1-yl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidine

Systemtic Name: 6-butyl-4-(1,4-diazepan-1-yl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidine Openeye Name: 6-butyl-4-(1,4-diazepan-1-yl)-3-phenyl-isoxazolo[5,4-d]pyrimidine CAS Name: 6-butyl-4-(1,4-diazepan-1-yl)-3-phenylisoxazolo[5,4-d]pyrimidine IUPAC Name: 6-butyl-4-(1,4-diazepan-1-yl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidine Traditional Name: 6-butyl-4-(1,4-diazepan-1-yl)-3-phenyl-isoxazolo[5,4-d]pyrimidine Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CCCCC1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C20H25N5O/c1-2-3-10-16-22-19(25-13-7-11-21-12-14-25)17-18(24-26-20(17)23-16)15-8-5-4-6-9-15/h4-6,8-9,21H,2-3,7,10-14H2,1H3