5-azanyl-2-[4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,3,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl]pentanoic acid

Systemtic Name: 5-azanyl-2-[4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,3,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl]pentanoic acid Openeye Name: 5-amino-2-[4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,3,5,7,8-pentamethyl-chroman-6-yl]pentanoic acid CAS Name: 5-amino-2-[4-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-2,3,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl]pentanoic acid IUPAC Name: 5-amino-2-[4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,3,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl]pentanoic acid Traditional Name: 5-amino-2-[4-[4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino]-2,3,5,7,8-pentamethyl-chroman-6-yl]valeric acid Formula: C35H53N7O3 MolecularWeight: 619.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C(=C(C(=C2C1N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C)C(CCCN)C(=O)O)C)C)C

Isomeric SMILES

CC1C(OC2=C(C(=C(C(=C2C1N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C)C(CCCN)C(=O)O)C)C)C

InChI

InChI=1S/C35H53N7O3/c1-22-23(2)33-31(25(4)30(22)27(34(43)44)11-10-12-36)32(24(3)26(5)45-33)41-19-17-40(18-20-41)29-21-28(39-13-6-7-14-39)37-35(38-29)42-15-8-9-16-42/h21,24,26-27,32H,6-20,36H2,1-5H3,(H,43,44)