6-azanyl-3-methyl-5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H31N5O3/c1-3-10-27-20(23)19(21(29)24(2)22(27)30)18(28)16-26-12-7-11-25(13-14-26)15-17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-16,23H2,1-2H3