2-[[4-[[4-[[2,4-bis(azanyl)pyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[[4-[[2,4-bis(azanyl)pyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentyl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[[[4-[(2,4-diamino-6-pyrido[3,2-d]pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-5-oxopentyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentyl]carbamoyl]benzoic acid Formula: C28H28N8O6 MolecularWeight: 572.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=NC4=C(C=C3)N=C(N=C4N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=NC4=C(C=C3)N=C(N=C4N)N)C(=O)O

InChI

InChI=1S/C28H28N8O6/c29-23-22-20(35-28(30)36-23)12-11-17(33-22)14-32-16-9-7-15(8-10-16)24(37)34-21(27(41)42)6-3-13-31-25(38)18-4-1-2-5-19(18)26(39)40/h1-2,4-5,7-12,21,32H,3,6,13-14H2,(H,31,38)(H,34,37)(H,39,40)(H,41,42)(H4,29,30,35,36)