N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-N-pentyl-benzotriazole-5-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-N-pentyl-benzotriazole-5-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-ethyl-N-pentyl-benzotriazole-5-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-ethyl-N-pentyl-5-benzotriazolecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-N-pentylbenzotriazole-5-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-1-ethyl-benzotriazole-5-carboxamide Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC3=C(C=C2)N(N=N3)CC

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC3=C(C=C2)N(N=N3)CC

InChI

InChI=1S/C22H31N7O3/c1-4-7-9-13-27(18-19(23)28(12-8-5-2)22(32)24-20(18)30)21(31)15-10-11-17-16(14-15)25-26-29(17)6-3/h10-11,14H,4-9,12-13,23H2,1-3H3,(H,24,30,32)