4-azanyl-5-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[4-[6-chloro-7-[(phenylmethyl)amino]-4-(1-pyrrolidinyl)-2-pteridinyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 4-amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidino-pteridin-2-yl]piperazino]-5-keto-valeric acid Formula: C26H32ClN9O3 MolecularWeight: 554.04378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)C(CCC(=O)O)N

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C26H32ClN9O3/c27-21-23(29-16-17-6-2-1-3-7-17)31-22-20(30-21)24(34-10-4-5-11-34)33-26(32-22)36-14-12-35(13-15-36)25(39)18(28)8-9-19(37)38/h1-3,6-7,18H,4-5,8-16,28H2,(H,37,38)(H,29,31,32,33)