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

Systemtic Name: 4-(1,4-diazepan-1-yl)-6-pentan-2-yl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidine Openeye Name: 4-(1,4-diazepan-1-yl)-6-(1-methylbutyl)-3-phenyl-isoxazolo[5,4-d]pyrimidine CAS Name: 4-(1,4-diazepan-1-yl)-6-pentan-2-yl-3-phenylisoxazolo[5,4-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-1-yl)-6-pentan-2-yl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidine Traditional Name: 4-(1,4-diazepan-1-yl)-6-(1-methylbutyl)-3-phenyl-isoxazolo[5,4-d]pyrimidine Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CCCC(C)C1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C21H27N5O/c1-3-8-15(2)19-23-20(26-13-7-11-22-12-14-26)17-18(25-27-21(17)24-19)16-9-5-4-6-10-16/h4-6,9-10,15,22H,3,7-8,11-14H2,1-2H3