6-azanyl-5-[1,3-benzothiazol-2-ylmethyl-(phenylmethyl)amino]-1-butyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[1,3-benzothiazol-2-ylmethyl-(phenylmethyl)amino]-1-butyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[1,3-benzothiazol-2-ylmethyl(benzyl)amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1,3-benzothiazol-2-ylmethyl-(phenylmethyl)amino]-1-butylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[1,3-benzothiazol-2-ylmethyl(benzyl)amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[1,3-benzothiazol-2-ylmethyl(benzyl)amino]-1-butyl-pyrimidine-2,4-quinone Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C23H25N5O2S/c1-2-3-13-28-21(24)20(22(29)26-23(28)30)27(14-16-9-5-4-6-10-16)15-19-25-17-11-7-8-12-18(17)31-19/h4-12H,2-3,13-15,24H2,1H3,(H,26,29,30)